Vitas-M small molecule compound
2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
Catalog ID
STK005144
SMILES COc1ccc(cc1Cl)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)CCCC3
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H21BrClN3O3S2 MW 590.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrClN3O3S2/c1-33-19-11-8-15(12-18(19)27)28-21(31)13-34-25-29-23-22(17-4-2-3-5-20(17)35-23)24(32)30(25)16-9-6-14(26)7-10-16/h6-12H,2-5,13H2,1H3,(H,28,31)InChIKey
SADZQUBJZCTHAG-UHFFFAOYSA-NSynonyms
2((3(4bromophenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(3chloro4methoxyphenyl)acetamide
2((3(4bromophenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(3chloro4methoxyphenyl)acetamide
2((3(4bromophenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(3chloro4methoxyphenyl)acetamide
COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br)Cl
COc1ccc(cc1Cl)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)CCCC3
InChI=1SC25H21BrClN3O3S2c1331911815(1218(19)27)2821(31)133425292322(17423520(17)3523)24(32)30(25)169614(26)71016h612H2513H21H3(H2831)
MFCD03223121
STK005144
ZINC000001864604
ZINC01864604
ZINC1864604
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